semiempirical calculations

Marius Retegan marius.s... at gmail.com
Tue Sep 15 11:42:43 UTC 2009


Hello,
I'm having some problem running semiempirical calculations with the latest
cvs version of the code. The input attached to the e-mail is that of a
simple geometry optimization of EtLi with PM6, that is working with a
previous version (CP2K| Last CVS entry xray_diffraction.F/1.25/Wed Feb  4
08:44:19 2009), but not with the latest cvs code.
Any ideas?
Marius
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